CID 155289449

Hmoq

Structural Information

Molecular Formula

C₁₇H₂₃NO₂

SMILES

CCCCCCCC1=CC(=O)C2=CC=CC=C2N1OC

InChI

InChI=1S/C17H23NO2/c1-3-4-5-6-7-10-14-13-17(19)15-11-8-9-12-16(15)18(14)20-2/h8-9,11-13H,3-7,10H2,1-2H3

InChIKey

IDTUWEWAKTXKFB-UHFFFAOYSA-N

Compound name

2-heptyl-1-methoxyquinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.17288 Da
Monoisotopic Mass: 5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.180156	164.9
[M+Na]+	296.162098	173.3
[M-H]-	272.165604	167.8
[M+NH4]+	291.206703	181.5
[M+K]+	312.136038	169.0
[M+H-H2O]+	256.170140	157.0
[M+HCOO]-	318.171081	185.9
[M+CH3COO]-	332.186731	202.2
[M+Na-2H]-	294.147546	169.9
[M]+	273.17233142	170.2
[M]-	273.17342858	170.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.